Geometry & MOs

Info

ID:	30730
PubChem CID:	841775
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	293.01637
ΔH_f, kcal/mol:	-78.25
Dipole, Da:	5.9
IP(EA), eV:	-9.11(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4-methylphenyl)-2-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(C=N2)NC(=O)CCCC(=O)O

DOS

IR

Vibrations